- InChI
- InChI=1S/C15H26O/c1-10-8-13(2,3)12-9-14(4)7-6-11(12)15(10,5)16-14/h10-12H,6-9H2,1-5H3/t10-,11+,12?,14-,15-/m1/s1
- InChI Key
- IQWAWENFFQLNLN-LZVAUXPFSA-N
- Formula
- C15H26O
- SMILES
- CC1CC(C)(C)C2CC3(C)CCC2C1(C)O3
- Molecular Weight1
- 222.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 107.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 4.016 | Crippen Calculated Property | |
| McVol | 195.500 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | 1413.00 | NIST | |
| Tboil | 585.02 | K | Joback Calculated Property |
| Tc | 813.84 | K | Joback Calculated Property |
| Tfus | 391.14 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.85; 685.05] | J/mol×K | [585.02; 813.84] | 
|
| Cp,gas | 557.85 | J/mol×K | 585.02 | Joback Calculated Property |
| Cp,gas | 581.52 | J/mol×K | 623.16 | Joback Calculated Property |
| Cp,gas | 603.66 | J/mol×K | 661.29 | Joback Calculated Property |
| Cp,gas | 624.68 | J/mol×K | 699.43 | Joback Calculated Property |
| Cp,gas | 644.99 | J/mol×K | 737.57 | Joback Calculated Property |
| Cp,gas | 664.97 | J/mol×K | 775.71 | Joback Calculated Property |
| Cp,gas | 685.05 | J/mol×K | 813.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Peculiaroxide.
Sources
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